SCHEMBL9876869

SCHEMBL9876869

CCC(C)N1CCc2c(C)nc3c(C#N)cnn3c21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
KMT2A Q03164 3/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.53
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
KDM5A P29375 2/20 0.45
KDM4C Q9H3R0 1/20 0.45
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
CDK2 P24941 2/20 0.42
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.37
CSNK2A1 P68400 4/20 0.36
NPSR1 Q6W5P4 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6624817 0.88 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6626868 0.88 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6628654 0.86 KDM4E (0.48) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6628338 0.86 KDM4E (0.50) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6626852 0.86 KDM4E (0.50) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6625974 0.86 KDM4E (0.53) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6622385 0.86 KDM4E (0.48) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6624437 0.85 KDM4E (0.47) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6623409 0.85 KDM4E (0.49) KDM4ESMN1; SMN2KMT2AGAAHTT
SCHEMBL6622411 0.85 ALDH1A1 (0.48) KDM4ESMN1; SMN2KMT2AGAAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992442-A Bronchodilator agents POLA CHEMICAL INDUSTRIES INC., JAPAN (JP) 1991-02-12 US disclosed
EP-0369145-A2 Pyrrolo[3,2-e]pyrazolo[1,5-a]pyrimidine derivatives and medicines comprising the same POLA CHEMICAL INDUSTRIES INC., JAPAN (JP) 1990-05-23 EP disclosed